Sentence examples for docking method for from inspiring English sources

Since Fold-X is a kind of docking method for special ligands, it would be interesting to compare the predictive performance of this method with that of a non-specialized state-of-the-art docking method in order to assess the advancement achieved by the special parametrization of protein-metal-ion interactions in Fold-X.

Approximations i iv seriously limit the applicability of docking methods for the following reasons.

In an effort to find lead compounds at lower cost and greater speed, computational chemistry methods have focused on developing fast and highly efficient molecular docking methods for virtual screening [1, 2].

Interested readers are referred to other recent reviews on molecular docking methods for more information (Brooijmans and Kuntz 2003; Sousa et al. 2006; Huang and Zou 2010; Grinter and Zou 2014a, b).

The current study shows that using interface predictions, the performance gap between data-driven docking and ab initio docking methods for blind docking cases is nearly closed.

This discussion addresses the challenges in using current docking methods for assessing chemical toxicity.

We compared two docking methods for their ability to estimate Ca2+-protein affinities, Fold-X 9 and AutoDock vina. 10 Fold-X has been published as a method for the prediction of positions of metal-ions on proteins, and for the prediction of affinities between proteins and metal-ions.

Here we present CPORT, a consensus docking method specifically optimized for data-driven docking in HADDOCK.

After completing the above specifications, the docking method and parameters for AutoDock are set.

The interactive docking method was carried out for all the conformers of each compound in the selected active site.

Although some docking methods accounting for protein flexibility exist, most large scale virtual screening approaches work with rigid protein models.